Recordings Edition 2021

A bottom-up approach towards the design of molecular electronic devices

Simulating Two-Dimensional Electronic Spectra

Density-Functional Tight-Binding for the Predictive Simulation of Complex Systems

Integrating Electronic and Nuclear Quantum Effects via the Nuclear-Electronic Orbital Method

Machine learning as a tool for analyzing and creating novel enhanced conformational sampling strategies

Prediction in organometallic catalysis – a challenge for computational chemistry

Quantum dynamical approaches to coherent carrier and exciton dynamics in functional organic materials

The Mutation of the "Nobel Prize in Chemistry" into the "Nobel Prize in Chemistry or Life Sciences": Several Decades of Transparent and Opaque Evidence of Change within the Nobel Prize Program

Writing (and Drawing) as Thinking

Putting density functional theory to the test in machine-learning accelerated discovery for transition metal chemistry

Simulation of association in water: From ion pairing to crystal growth

Computational tools for drug discovery

Methods for the prediction and analysis of electronic structures for magnetically coupled transition metal complexes

Free-energy calculations from theory to drug discovery

Understanding intermolecular interactions and chemical bonding via energy decomposition analysis

Quantum ESPRESSO Workshop

ORCA Workshop